Glycoside
GD031646
Name:
NoneFormula:
C10H13O8N2FSSmiles:
CS(=O)(=O)OC[C@@H]1OC(n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COS(C)(=O)=O.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.29 | Num_heavy_atoms: | 22 |
| TPSA: | 147.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
